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4-(3-Amino-4-methylamino-phenoxy)-pyridine-2-carboxylic acid (2-hydroxy-ethyl)-amide

HCID 21037288
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNc1ccc(Oc2ccnc(C(=O)NCCO)c2)cc1N
InChIKey
OHCCWFYFBLWJTD-UHFFFAOYSA-N
Molecular formula
C15H18N4O3
Average molar mass
302.33 g/mol

Names & identifiers

Preferred name
4-(3-Amino-4-methylamino-phenoxy)-pyridine-2-carboxylic acid (2-hydroxy-ethyl)-amide
IUPAC
4-[3-amino-4-(methylamino)phenoxy]-N-(2-hydroxyethyl)pyridine-2-carboxamide

Names & synonyms

SCHEMBL12355378OHCCWFYFBLWJTD-UHFFFAOYSA-N4-(3-Amino-4-methylamino-phenoxy)-pyridine-2-carboxylic acid (2-hydroxy-ethyl)-amide

Database identifiers

PubChem CID
21037288

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
110 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
356

Related reactions

7 records
New reaction record
HRID 13513 reaction equation
HRID 13513As productuspto-grants-2010_06
HRID 13514 reaction equation
HRID 13514As reactantuspto-grants-2010_06
HRID 1151722 reaction equation
HRID 1151722As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1915690 reaction equation
HRID 1915690As productuspto-grants-2013_12
HRID 1915691 reaction equation
HRID 1915691As reactantuspto-grants-2013_12
HRID 2070313 reaction equation
HRID 2070313As productuspto-grants-2012_10
HRID 2070314 reaction equation
HRID 2070314As reactantuspto-grants-2012_10

Compound notes

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